3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide

C22H25N3O3 — CID 46478919

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)27-19-11-7-10-18(14-19)16(3)23-20(26)12-13-21-24-25-22(28-21)17-8-5-4-6-9-17/h4-11,14-16H,12-13H2,1-3H3,(H,23,26)
InChIKeyOZPPIIKEJLPMBB-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.33
Rot. Bonds8

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 46478919) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID46478919
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)CCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)27-19-11-7-10-18(14-19)16(3)23-20(26)12-13-21-24-25-22(28-21)17-8-5-4-6-9-17/h4-11,14-16H,12-13H2,1-3H3,(H,23,26)
InChIKeyOZPPIIKEJLPMBB-UHFFFAOYSA-N
XLogP4.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39705619
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 29102875
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 75767320
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide (CID 46478919) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide is CC(C)Oc1cccc(C(C)NC(=O)CCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is OZPPIIKEJLPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)27-19-11-7-10-18(14-19)16(3)23-20(26)12-13-21-24-25-22(28-21)17-8-5-4-6-9-17/h4-11,14-16H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 46478919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).